SCHEMBL6583833

SCHEMBL6583833

C=CCN(C(=O)COC)c1cc([N+](=O)[O-])ccc1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 7/20 0.40
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6580962 0.92 SMN1; SMN2 (0.48) KMT2AMEN1TDP1POLBSMN1; SMN2
SCHEMBL6581460 0.92 ALDH1A1 (0.44) KMT2ATDP1POLBSMN1; SMN2ALDH1A1
SCHEMBL6577291 0.86 SMN1; SMN2 (0.46) KMT2AMEN1TDP1POLBSMN1; SMN2
SCHEMBL6576871 0.84 ALDH1A1 (0.46) KMT2AMEN1TDP1POLBSMN1; SMN2
SCHEMBL6578758 0.82 CYP1A2 (0.48) KMT2AMEN1TDP1POLBSMN1; SMN2
SCHEMBL6578922 0.79 SMN1; SMN2 (0.53) KMT2AMEN1TDP1POLBSMN1; SMN2
SCHEMBL6579295 0.79 ALDH1A1 (0.48) KMT2AMEN1TDP1POLBSMN1; SMN2
SCHEMBL6582332 0.78 SMN1; SMN2 (0.43) KMT2AMEN1TDP1SMN1; SMN2ALDH1A1
SCHEMBL6576729 0.76 SMN1; SMN2 (0.50) KMT2AMEN1TDP1POLBSMN1; SMN2
SCHEMBL6579586 0.74 SMN1; SMN2 (0.48) KMT2AMEN1TDP1SMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927718-B1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2004-02-25 EP disclosed
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed